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Compound Detail

CHEMBL4802114

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O=C1c2ccc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802114
Phase Preclinical
Structure Type MOL
InChI Key FNUPUYFWZXZMIE-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
1.48
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O6
MW 288.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 2.11

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine